input word = C00003275

Metabolite InformationStructural formula
Name Eupatocunin
Formula C22H28O7
Mw 404.18350325
CAS RN 33853-87-1
C_ID C00003275 ,
InChIKey JWMHJIFDEKQJQY-ZZPCIEQWNA-N
InChICode InChI=1S/C22H28O7/c1-7-11(2)21(25)29-20-18-14(5)22(26)28-17(18)10-13(4)16(27-15(6)23)9-8-12(3)19(20)24/h7-8,10,16-20,24H,5,9H2,1-4,6H3/b11-7-,12-8+,13-10-/t16-,17-,18-,19+,20-/m0/s1
SMILES [C@@H]12[C@@H](OC(=O)C1=C)/C=C(\[C@H](C/C=C(/[C@H]([C@H]2OC(=O)/C(=C\C)/C)O)\C)OC(=O)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium cuneifolium Ref.
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